(3R,4R)-3-[(2S)-1-(5-chloropyrimidin-2-yl)pyrrolidin-2-yl]oxan-4-ol

C13H18ClN3O2 — CID 129491886

IUPAC(3R,4R)-3-[(2S)-1-(5-chloropyrimidin-2-yl)pyrrolidin-2-yl]oxan-4-ol
SMILESO[C@@H]1CCOC[C@H]1[C@@H]1CCCN1c1ncc(Cl)cn1
InChIInChI=1S/C13H18ClN3O2/c14-9-6-15-13(16-7-9)17-4-1-2-11(17)10-8-19-5-3-12(10)18/h6-7,10-12,18H,1-5,8H2/t10-,11-,12+/m0/s1
InChIKeyBWNZCDKCDKMIQG-SDDRHHMPSA-N
MW283.76 g/mol
LogP1.50
Rot. Bonds2

About (3R,4R)-3-[(2S)-1-(5-chloropyrimidin-2-yl)pyrrolidin-2-yl]oxan-4-ol

(3R,4R)-3-[(2S)-1-(5-chloropyrimidin-2-yl)pyrrolidin-2-yl]oxan-4-ol (PubChem CID 129491886) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is (3R,4R)-3-[(2S)-1-(5-chloropyrimidin-2-yl)pyrrolidin-2-yl]oxan-4-ol.

Molecular Properties

Compound Name(3R,4R)-3-[(2S)-1-(5-chloropyrimidin-2-yl)pyrrolidin-2-yl]oxan-4-ol
PubChem CID129491886
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name(3R,4R)-3-[(2S)-1-(5-chloropyrimidin-2-yl)pyrrolidin-2-yl]oxan-4-ol
SMILESO[C@@H]1CCOC[C@H]1[C@@H]1CCCN1c1ncc(Cl)cn1
InChIInChI=1S/C13H18ClN3O2/c14-9-6-15-13(16-7-9)17-4-1-2-11(17)10-8-19-5-3-12(10)18/h6-7,10-12,18H,1-5,8H2/t10-,11-,12+/m0/s1
InChIKeyBWNZCDKCDKMIQG-SDDRHHMPSA-N
XLogP1.50
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R,4R)-3-[(2S)-1-(5-chloropyrimidin-2-yl)pyrrolidin-2-yl]oxan-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-[(2S)-1-(5-chloropyrimidin-2-yl)pyrrolidin-2-yl]oxan-4-ol?
The IUPAC name of (3R,4R)-3-[(2S)-1-(5-chloropyrimidin-2-yl)pyrrolidin-2-yl]oxan-4-ol (CID 129491886) is (3R,4R)-3-[(2S)-1-(5-chloropyrimidin-2-yl)pyrrolidin-2-yl]oxan-4-ol.
What is the SMILES notation for (3R,4R)-3-[(2S)-1-(5-chloropyrimidin-2-yl)pyrrolidin-2-yl]oxan-4-ol?
The canonical SMILES for (3R,4R)-3-[(2S)-1-(5-chloropyrimidin-2-yl)pyrrolidin-2-yl]oxan-4-ol is O[C@@H]1CCOC[C@H]1[C@@H]1CCCN1c1ncc(Cl)cn1.
What is the InChIKey of (3R,4R)-3-[(2S)-1-(5-chloropyrimidin-2-yl)pyrrolidin-2-yl]oxan-4-ol?
The InChIKey is BWNZCDKCDKMIQG-SDDRHHMPSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c14-9-6-15-13(16-7-9)17-4-1-2-11(17)10-8-19-5-3-12(10)18/h6-7,10-12,18H,1-5,8H2/t10-,11-,12+/m0/s1.
What are the key properties of (3R,4R)-3-[(2S)-1-(5-chloropyrimidin-2-yl)pyrrolidin-2-yl]oxan-4-ol?
(3R,4R)-3-[(2S)-1-(5-chloropyrimidin-2-yl)pyrrolidin-2-yl]oxan-4-ol has a molecular weight of 283.76 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-[(2S)-1-(5-chloropyrimidin-2-yl)pyrrolidin-2-yl]oxan-4-ol is sourced from PubChem (CID 129491886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).